Dear all,
is there an EASY way to calculate the center of mass of a group of atoms
as a function of time (and possibly print it out as a whatever.xvg file)?
I found that the g_dist program calculates the distance between the
centers of mass of two groups of atoms as a function of time, which is
different from what I need. Anybody has suggestions?
Thanks a lot
Luca
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Luca Monticelli
Department of Organic Chemistry
University of Padova
Via Marzolo, 1, 35131 Padova, ITALY
tel: +39 49 827 5324
fax: +39 49 827 5239
e-mail: luca.monti at chor.unipd.it
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